Bayesian network models identify co-operative GPCR:G protein interactions that contribute to G protein coupling.

ABSTRACT: Cooperative interactions in protein-protein interfaces demonstrate the interdependency or the linked network-like behavior of interface interactions and their effect on the coupling of proteins. Cooperative interactions also could cause ripple or allosteric effects at a distance in protein-protein interfaces. Although they are critically important in protein-protein interfaces it is challenging to determine which amino acid pair interactions are cooperative. In this work we have used Bayesian network modeling, an interpretable machine learning method, combined with molecular dynamics trajectories to identify the residue pairs that show high cooperativity and their allosteric effect in the interface of G protein-coupled receptor (GPCR) complexes with G proteins. Our results reveal a strong

SUBMITTER: Mukhaleva E 

PROVIDER: S-EPMC10592737 | biostudies-literature | 2023 Oct

REPOSITORIES: biostudies-literature